(2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol

C11H19N3O2 — CID 114622643

IUPAC(2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCC1(C)CC(C(O)c2ncn[nH]2)C(C)(C)O1
InChIInChI=1S/C11H19N3O2/c1-10(2)5-7(11(3,4)16-10)8(15)9-12-6-13-14-9/h6-8,15H,5H2,1-4H3,(H,12,13,14)
InChIKeyZUNBCBUEKCOEMF-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.43
Rot. Bonds2

About (2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol

(2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol (PubChem CID 114622643) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Name(2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol
PubChem CID114622643
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCC1(C)CC(C(O)c2ncn[nH]2)C(C)(C)O1
InChIInChI=1S/C11H19N3O2/c1-10(2)5-7(11(3,4)16-10)8(15)9-12-6-13-14-9/h6-8,15H,5H2,1-4H3,(H,12,13,14)
InChIKeyZUNBCBUEKCOEMF-UHFFFAOYSA-N
XLogP1.43
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol (CID 114622643) is (2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for (2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for (2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol is CC1(C)CC(C(O)c2ncn[nH]2)C(C)(C)O1.
What is the InChIKey of (2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is ZUNBCBUEKCOEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-10(2)5-7(11(3,4)16-10)8(15)9-12-6-13-14-9/h6-8,15H,5H2,1-4H3,(H,12,13,14).
What are the key properties of (2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol?
(2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 225.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,5,5-tetramethyloxolan-3-yl)-(1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 114622643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).